Compound Identification
SMILES
COC1=C(OC)C(Br)=CC(=C1)C1C2=C(OC(N)=C1C#N)C1=C(NC(C)=N1)C=C2
InChIKey
InChIKey=VGSCRGFIRILWGU-UHFFFAOYSA-N
Formula
C20H17BrN4O3
Mass
441.285
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans Dimethoxybenzenes Benzimidazoles Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes Aryl bromides Imidazoles Heteroaromatic compounds Ketene acetals Azacyclic compounds Oxacyclic compounds Nitriles Hydrocarbon derivatives Amines Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzimidazole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Ketene acetal or derivatives - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Ether - Azacycle - Amine - Organic nitrogen compound - Cyanide - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available